4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol

C22H27ClN4O2 — CID 151361258

IUPAC4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol
SMILESCCCCC(C)NCc1ccc(Cl)cc1Nc1ncnc2cc(OC)c(O)cc12
InChIInChI=1S/C22H27ClN4O2/c1-4-5-6-14(2)24-12-15-7-8-16(23)9-18(15)27-22-17-10-20(28)21(29-3)11-19(17)25-13-26-22/h7-11,13-14,24,28H,4-6,12H2,1-3H3,(H,25,26,27)
InChIKeyOONFXBYKUKBCRU-UHFFFAOYSA-N
MW414.94 g/mol
LogP5.41
Rot. Bonds9

About 4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol

4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol (PubChem CID 151361258) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol.

Molecular Properties

Compound Name4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol
PubChem CID151361258
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol
SMILESCCCCC(C)NCc1ccc(Cl)cc1Nc1ncnc2cc(OC)c(O)cc12
InChIInChI=1S/C22H27ClN4O2/c1-4-5-6-14(2)24-12-15-7-8-16(23)9-18(15)27-22-17-10-20(28)21(29-3)11-19(17)25-13-26-22/h7-11,13-14,24,28H,4-6,12H2,1-3H3,(H,25,26,27)
InChIKeyOONFXBYKUKBCRU-UHFFFAOYSA-N
XLogP5.41
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.94
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol with MolForge

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Related Compounds

4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol
CID 91228054
6-(4-aminobutoxy)-N-[2-[3-[3-[2-[[6-(4-aminobutoxy)-7-methoxyquinazolin-4-yl]amino]-4-chlorophenyl]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-5-chlorophenyl]-7-methoxyquinazolin-4-amine
CID 142777294
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;hexane;methylcyclohexane
CID 143731396
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[(propan-2-ylamino)methyl]quinazolin-4-amine
CID 69047474
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol
CID 135549384
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol
CID 118112159
4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol
CID 21002450
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;hexan-3-ol;methylcyclohexane
CID 143731387
N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine
CID 62198160
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-octan-4-yloxyquinazolin-4-amine
CID 143282534

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol?
The IUPAC name of 4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol (CID 151361258) is 4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol.
What is the SMILES notation for 4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol?
The canonical SMILES for 4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol is CCCCC(C)NCc1ccc(Cl)cc1Nc1ncnc2cc(OC)c(O)cc12.
What is the InChIKey of 4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol?
The InChIKey is OONFXBYKUKBCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-4-5-6-14(2)24-12-15-7-8-16(23)9-18(15)27-22-17-10-20(28)21(29-3)11-19(17)25-13-26-22/h7-11,13-14,24,28H,4-6,12H2,1-3H3,(H,25,26,27).
What are the key properties of 4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol?
4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol has a molecular weight of 414.94 g/mol, XLogP of 5.41, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol is sourced from PubChem (CID 151361258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).